⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL11705760 | 0.89 | CTSL (0.30) | — | |
| SCHEMBL1352155 | 0.86 | — | — | |
| SCHEMBL11706738 | 0.81 | — | — | |
| SCHEMBL1353079 | 0.79 | — | — | |
| SCHEMBL25067553 | 0.78 | — | — | |
| SCHEMBL6890783 | 0.74 | — | — | |
| SCHEMBL27052901 | 0.74 | — | — | |
| SCHEMBL27052903 | 0.74 | — | — | |
| SCHEMBL18525132 | 0.74 | SHBG (0.33) | — | |
| SCHEMBL11704775 | 0.73 | SIGMAR1 (0.31) | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4021490-A | EXTRACTIVE DISTILLATION; SULFOLANE | PHILLIPS PETROLEUM COMPANY (US) | 1977-05-03 | — | — | US | disclosed |